pH::calc_pka Namespace Reference

Functions
BooleanOptionKey const	calc_pka ("pH:calc_pka")
BooleanOptionKey const	pka_all ("pH:calc_pka:pka_all")
RealVectorOptionKey const	pka_for_resnos ("pH:calc_pka:pka_for_resnos")
StringOptionKey const	pka_for_chainno ("pH:calc_pka:pka_for_chainno")
BooleanOptionKey const	pH_neighbor_pack ("pH:calc_pka:pH_neighbor_pack")
RealOptionKey const	pka_rad ("pH:calc_pka:pka_rad")
BooleanOptionKey const	pH_prepack ("pH:calc_pka:pH_prepack")
BooleanOptionKey const	pH_relax ("pH:calc_pka:pH_relax")
BooleanOptionKey const	rotamer_prot_stats ("pH:calc_pka:rotamer_prot_stats")

Function Documentation

BooleanOptionKey const pH::calc_pka::calc_pka

(

"pH:calc_pka"

)

BooleanOptionKey const pH::calc_pka::pH_neighbor_pack

(

"pH:calc_pka:pH_neighbor_pack"

)

BooleanOptionKey const pH::calc_pka::pH_prepack

(

"pH:calc_pka:pH_prepack"

)

BooleanOptionKey const pH::calc_pka::pH_relax

(

"pH:calc_pka:pH_relax"

)

BooleanOptionKey const pH::calc_pka::pka_all

(

"pH:calc_pka:pka_all"

)

StringOptionKey const pH::calc_pka::pka_for_chainno

(

"pH:calc_pka:pka_for_chainno"

)

RealVectorOptionKey const pH::calc_pka::pka_for_resnos

(

"pH:calc_pka:pka_for_resnos"

)

RealOptionKey const pH::calc_pka::pka_rad

(

"pH:calc_pka:pka_rad"

)

BooleanOptionKey const pH::calc_pka::rotamer_prot_stats

(

"pH:calc_pka:rotamer_prot_stats"

)